| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 21.981 | 0.000 | 0.000 | True |
| 2 | 0.000 | 6.039 | 0.034 | True |
| 3 | 0.000 | 0.514 | 8.906 | True |
| Lengths: | 21.981 | 6.039 | 8.921 |
| Angles: | 86.373 | 90.000 | 90.000 |
| band structure | |||
| dos |
| Key | Value |
|---|---|
| Uniqe row ID | 12 |
| Total energy | -112.169 eV |
| Maximum force | 0.292 eV/Ang |
| Maximum stress on unit cell | 0.002 eV/Ang3 |
| Sum of atomic masses in unit cell | 194.580 au |
| Age | 5.051 years |
| Items | |
|---|---|
| ASE-calculator name | vasp |
| Net charge in unit cell | 0.000 |e| |
| Chemical formula | B18 |
| Number of atoms | 18 |
| Periodic boundary conditions | [ True True True] |
| Random (unique) ID | 9ab259205c6151693b5ec20bd6c3f687 |
| Username | hecc |
| Volume of unit cell | 1181.800 Ang3 |